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CHEBI:28377 - plastoquinone-9

ChEBI IDCHEBI:28377
ChEBI Nameplastoquinone-9
Stars
DefinitionA plastoquinone in which the number of isoprene units in the side chain is 9.
Secondary ChEBI IDsCHEBI:8263, CHEBI:26162
Last Modified28 July 2014
DownloadsMolfile
FormulaC53H80O2
Net Charge0
Average Mass749.221
Monoisotopic Mass748.61583
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C(C)=C(C)C1=O
InChIInChI=1S/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+
InChIKeyFKUYMLZIRPABFK-IQSNHBBHSA-N
ChEBI Ontology
Outgoing Relation(s)
plastoquinone-9 (CHEBI:28377) is a plastoquinone (CHEBI:17757)
IUPAC Name 
2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione
Synonyms  Source
Plastoquinone-9KEGG COMPOUND
2,3-dimethyl-5-(solanesyl)-1,4-benzoquinoneChEBI
plastoquinone AKEGG COMPOUND
(all-E)-2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatricontanonaenyl)-2,5-cyclohexadiene-1-4-dioneChEBI
Kofler's quinoneChEBI
plastoquinone 45ChEBI
UniProt Name  Source
plastoquinone-9UniProt
Manual XrefsDatabases
C10385KEGG COMPOUND
PLASTOQUINONE-9MetaCyc
C00002851KNApSAcK
Registry NumbersSources
Reaxys:1899419Reaxys
CAS:4299-57-4KEGG COMPOUND
CAS:4299-57-4ChemIDplus